MMsINC Database Search


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MMsINC code: MMs02312404

Type: Ionized
Formula: C₁₀H₂₄N₂O₂+2

SMILES:

O(C(=O)CC[NH+](C)C)CC[N+](C)(C)C

InChI:

InChI=1/C10H23N2O2/c1-11(2)7-6-10(13)14-9-8-12(3,4)5/h6-9H2,1-5H3/q+1/p+1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.2267 kcal/mol

Physical Properties
Molecular Weight: 204.314 g/mol	logS: 0.47836	SlogP: -1.2296	Reactive groups: 1

Topological Properties
Globularity: 0.090418	Sterimol/B1: 2.27319	Sterimol/B2: 3.75352	Sterimol/B3: 4.14467
Sterimol/B4: 4.83096	Sterimol/L: 14.2141

Surface and Volume Properties
Accessible surface: 471.579	Positive charged surface: 440.598	Negative charged surface: 30.9806	Volume: 233.75
Hydrophobic surface: 322.762	Hydrophilic surface: 148.817

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 2
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Parent related molecule:

MMs02312403
NCID-ZINC01677408